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TargetIDH1 R132H
LigandBDBM278543
Substrate/Competitorn/a
Meas. Tech.Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes
pH7.5±n/a
Temperature298.15±n/a K
IC50 11±n/a nM
Commentsextracted
Citation Saito, SItoh, MFujisawa, TSaito, HKiyotsuka, YWatanabe, HMatsunaga, HKagoshima, YSuzuki, TOgawara, YKitabayashi, K Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor US Patent US10040791 Publication Date 8/7/2018
More Info.:Get all data from this article,  Assay Method
 
IDH1 R132H
Name:IDH1 R132H
Synonyms:Amyloid-beta 1-40 | IDH1(R132H) | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H)
Type:Enzyme Catalytic Domain
Mol. Mass.:46641.74
Organism:Homo sapiens (human)
Description:n/a
Residue:414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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  Blast E-value cutoff:
BDBM278543
NameBDBM278543
Synonyms: (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(3-ethyloxetan-3-yl)-1,2-oxazol-4-yl]carbonyl}-1H-indol-4-yl)prop-2-enoic acid | US10040791, Example 5
TypeSmall organic molecule
Emp. Form.C26H20Cl2N2O5
Mol. Mass.511.353
SMILESCCC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl |(1.78,2.59,;.45,1.82,;-.89,2.59,;.2,3.68,;-.89,4.76,;-1.98,3.68,;-2.22,1.82,;-3.47,2.72,;-4.71,1.82,;-4.24,.35,;-2.7,.35,;-1.93,-.98,;-2.57,-2.09,;-.39,-.98,;.52,.26,;1.98,-.21,;1.98,-1.75,;3.13,-2.78,;4.61,-2.38,;5.01,-.9,;6.5,-.5,;7.59,-1.59,;6.9,.99,;2.81,-4.29,;1.34,-4.76,;.2,-3.73,;.52,-2.23,;-5.28,-1.47,;-6.82,-1.47,;-7.59,-.14,;-7.59,-2.8,;-6.82,-4.14,;-5.28,-4.14,;-4.51,-2.8,;-2.97,-2.8,)|
Structure
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